N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine

C17H18FNS2 — CID 115852659

IUPACN-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cc2sccc2s1)c1cc(C)ccc1F
InChIInChI=1S/C17H18FNS2/c1-3-7-19-17(12-9-11(2)4-5-13(12)18)16-10-15-14(21-16)6-8-20-15/h4-6,8-10,17,19H,3,7H2,1-2H3
InChIKeyANOLEEDOUNWVKX-UHFFFAOYSA-N
MW319.47 g/mol
LogP5.50
Rot. Bonds5

About N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine

N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine (PubChem CID 115852659) has the molecular formula C17H18FNS2 and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
PubChem CID115852659
Molecular FormulaC17H18FNS2
Molecular Weight319.47 g/mol
Exact Mass319.09
IUPAC NameN-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cc2sccc2s1)c1cc(C)ccc1F
InChIInChI=1S/C17H18FNS2/c1-3-7-19-17(12-9-11(2)4-5-13(12)18)16-10-15-14(21-16)6-8-20-15/h4-6,8-10,17,19H,3,7H2,1-2H3
InChIKeyANOLEEDOUNWVKX-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine with MolForge

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Related Compounds

N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105022872
1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80734021
N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 80733803
N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 115811372
N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 80733814
1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80746048
N-[(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105043457
N-[(3-chloro-4-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103405902
N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105018529
N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268580
N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102832497
N-[(2-fluoro-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 62515682

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine (CID 115852659) is N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine is CCCNC(c1cc2sccc2s1)c1cc(C)ccc1F.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The InChIKey is ANOLEEDOUNWVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS2/c1-3-7-19-17(12-9-11(2)4-5-13(12)18)16-10-15-14(21-16)6-8-20-15/h4-6,8-10,17,19H,3,7H2,1-2H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine has a molecular weight of 319.47 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 115852659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).